Accuracy
os(ii)(nh3)6
7534 Os(II)(NH3)6
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Geometry predicted using PM7
ΔHf: 292.1 kcal/mol, REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
CHARGE=2 QUINTET UHF PM7
Os(II)(NH3)6
H=292.1 HR=PW91D
Os 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
N 4.44018412 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 4.16336831 +1 71.7115015 +1 0.0000000 +0 1 2 0
N 1.85042965 +1 136.3957465 +1 -154.5637909 +1 1 3 2
N 2.31930820 +1 44.2663185 +1 144.5433346 +1 1 2 3
N 1.84792021 +1 48.1009960 +1 -175.6063940 +1 1 2 5
H 1.06096035 +1 116.6800962 +1 6.4097906 +1 6 1 2
H 1.05404506 +1 118.1273198 +1 -120.1137239 +1 6 1 7
H 1.03864010 +1 109.9534289 +1 -1.0148554 +1 5 1 2
H 1.02738271 +1 114.3302797 +1 -118.2025715 +1 5 1 9
H 1.05452193 +1 118.1923722 +1 145.0522114 +1 4 1 6
H 1.83135810 +1 119.6690149 +1 118.7074745 +1 4 1 11
H 1.02287359 +1 105.1500122 +1 -141.1002447 +1 3 1 2
H 1.02288562 +1 94.5470656 +1 -111.6507143 +1 3 1 13
H 1.00207399 +1 103.4034207 +1 12.7671061 +1 2 1 3
H 1.00786320 +1 122.0868634 +1 -121.2369817 +1 2 1 15
N 4.20722311 +1 129.8468132 +1 -131.6640225 +1 1 2 6
H 1.02421919 +1 111.1995758 +1 149.1402526 +1 17 1 2
H 1.02305859 +1 94.8951071 +1 -112.9608625 +1 17 1 18
H 1.00665240 +1 107.1309263 +1 -124.9173677 +1 2 1 16
H 1.02384912 +1 127.3774352 +1 -118.6051950 +1 3 1 14
H 1.05126180 +1 118.8616791 +1 119.9939098 +1 4 1 12
H 1.02526581 +1 114.9577147 +1 -122.7146001 +1 5 1 10
H 1.78394661 +1 120.7399001 +1 -125.4973545 +1 6 1 8
H 1.02471033 +1 121.3231163 +1 -116.3561228 +1 17 1 19